Localized bonds in self-consistent-field wave functions for polyatomic molecules. II. Boron hydrides

Eugene. Switkes; William N. Lipscomb; Marshall D. Newton

doi:10.1021/ja00716a002

Localized bonds in self-consistent-field wave functions for polyatomic molecules. II. Boron hydrides

Journal of the American Chemical Society ◽

10.1021/ja00716a002 ◽

1970 ◽

Vol 92 (13) ◽

pp. 3847-3853 ◽

Cited By ~ 39

Author(s):

Eugene. Switkes ◽

William N. Lipscomb ◽

Marshall D. Newton

Keyword(s):

Polyatomic Molecules ◽

Wave Functions ◽

Boron Hydrides ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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ChemInform Abstract: SELF-CONSISTENT FIELD WAVE FUNCTIONS OF BORON HYDRIDES AND IONS, B8H12, B9H15, B6H6(2-), B10H10(2-), AND B10H14(2-)

Chemischer Informationsdienst ◽

10.1002/chin.197415004 ◽

1974 ◽

Vol 5 (15) ◽

pp. no-no

Author(s):

JOHN H. JUN. HALL ◽

DENNIS S. MARYNICK ◽

WILLIAM N. LIPSCOMB

Keyword(s):

Wave Functions ◽

Boron Hydrides ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Self-consistent field wave functions of boron hydrides and ions. Octaborane(12), nonaborane(15), hexahydrohexaborate(2-), decahydrodecaborate(2-), and tetradecahydrodecaborate(2-)

Journal of the American Chemical Society ◽

10.1021/ja00810a022 ◽

1974 ◽

Vol 96 (3) ◽

pp. 770-779 ◽

Cited By ~ 19

Author(s):

John H. Hall ◽

Dennis S. Marynick ◽

William N. Lipscomb

Keyword(s):

Wave Functions ◽

Boron Hydrides ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Studies of polyatomic molecules using self-consistent-field wave functions. B4H10, B5H9+ and B5H11

Journal of the American Chemical Society ◽

10.1021/ja00716a001 ◽

1970 ◽

Vol 92 (13) ◽

pp. 3837-3846 ◽

Cited By ~ 35

Author(s):

Eugene. Switkes ◽

Irving R. Epstein ◽

John A. Tossell ◽

Richard M. Stevens ◽

William N. Lipscomb

Keyword(s):

Polyatomic Molecules ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Application of the saddle-point variational method to self-consistent-field wave functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560240844 ◽

2009 ◽

Vol 24 (S17) ◽

pp. 401-405

Author(s):

William L. Luken ◽

Joseph M. Leonard ◽

John C. Culberson

Keyword(s):

Variational Method ◽

Saddle Point ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Localised molecular orbitals in self-consistent field wave functions. Part X. The nature of electronegativity

Journal of the Chemical Society A Inorganic Physical Theoretical ◽

10.1039/j19660000656 ◽

1966 ◽

pp. 656 ◽

Cited By ~ 7

Author(s):

David Peters

Keyword(s):

Molecular Orbitals ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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373. Localised molecular orbitals in the self-consistent field wave functions of linear molecules. Part II. Atomic charges and dipole moments

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9630002015 ◽

1963 ◽

pp. 2015 ◽

Cited By ~ 15

Author(s):

David Peters

Keyword(s):

Dipole Moments ◽

Molecular Orbitals ◽

Wave Functions ◽

The Self ◽

Atomic Charges ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Linear Molecules ◽

Field Wave

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Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00382 ◽

2016 ◽

Vol 12 (7) ◽

pp. 3208-3213 ◽

Cited By ~ 30

Author(s):

Dongxia Ma ◽

Giovanni Li Manni ◽

Jeppe Olsen ◽

Laura Gagliardi

Keyword(s):

Perturbation Theory ◽

Wave Functions ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave ◽

Second Order Perturbation Theory

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ChemInform Abstract: ANALYTIC ENERGY SECOND DERIVATIVES FOR TWO-CONFIGURATION SELF-CONSISTENT-FIELD WAVE FUNCTIONS. APPLICATION TO TWISTED ETHYLENE AND TO THE TRIMETHYLENE DIRADICAL

Chemischer Informationsdienst ◽

10.1002/chin.198414054 ◽

1984 ◽

Vol 15 (14) ◽

Author(s):

Y. YAMAGUCHI ◽

Y. OSAMURA ◽

H. F. III SCHAEFER

Keyword(s):

Wave Functions ◽

Consistent Field ◽

Second Derivatives ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Linear response calculations for large scale multiconfiguration self‐consistent field wave functions

The Journal of Chemical Physics ◽

10.1063/1.454885 ◽

1988 ◽

Vol 89 (6) ◽

pp. 3654-3661 ◽

Cited By ~ 183

Author(s):

Poul Jo/rgensen ◽

Hans Jo/rgen Aagaard Jensen ◽

Jeppe Olsen

Keyword(s):

Linear Response ◽

Large Scale ◽

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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Analytical energy gradients for multiconfiguration self‐consistent field wave functions with frozen core orbitals

The Journal of Chemical Physics ◽

10.1063/1.460247 ◽

1991 ◽

Vol 94 (10) ◽

pp. 6708-6715 ◽

Cited By ~ 25

Author(s):

Thilo Busch ◽

Alessandra Degli Esposti ◽

Hans‐Joachim Werner

Keyword(s):

Wave Functions ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Field Wave

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